1H-Imidazolium,3-(2-bromoethyl)-1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-4-nitro-,chloride (1:1)
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Names
[ CAS No. ]:
52995-64-9
[ Name ]:
1H-Imidazolium,3-(2-bromoethyl)-1-(7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)-2-methyl-4-nitro-,chloride (1:1)
Chemical & Physical Properties
[ Molecular Formula ]:
C21H18BrCl2N5O3
[ Molecular Weight ]:
539.20900
[ Exact Mass ]:
536.99700
[ PSA ]:
96.09000
[ LogP ]:
1.12960
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NJ5032000
- CHEMICAL NAME :
- 1H-Imidazolium, 1-(2-bromoethyl)-3-(7-chloro-2,3-dihydro-2-oxo-5-phen yl-1H-1,4-benzodiazep in- 3-yl)-2-methyl-5-nitro-, chloride
- CAS REGISTRY NUMBER :
- 52995-64-9
- LAST UPDATED :
- 199012
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C21-H18-Br-Cl-N5-O3.Cl
- MOLECULAR WEIGHT :
- 539.25
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 2900 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,766,1974